orbital_charges     :real:2:4,2
  0.121484036904470E+001  0.890434189529752E+000  0.906234172151419E+000
  0.990816278200955E+000  0.120817686214686E+001  0.861808253544329E+000
  0.892824681153033E+000  0.101234320268225E+001
forces              :real:2:3,2
 -0.149209084053060E+000  0.141856046461115E+000 -0.523449699909363E-001
  0.103125107218744E+000 -0.102284946013209E+000  0.167836745162252E-001
mermin_energy       :real:0:
 -0.346691194078367E+001
end_coords          :real:2:3,2
  0.520851954464883E+001  0.538562545042446E+001  0.339019071849780E+001
  0.501954005396026E+001  0.557462437127564E+001  0.674464042387431E+000
